methyl 4-methyl-2-[(4-nitrophenyl)carbonylamino]-5-[(phenylmethyl)carbamoyl]thiophene-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(4-nitrophenyl)carbonylamino]-5-[(phenylmethyl)carbamoyl]thiophene-3-carboxylate Openeye Name: methyl 5-(benzylcarbamoyl)-4-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-methyl-2-[[(4-nitrophenyl)-oxomethyl]amino]-5-[oxo-[(phenylmethyl)amino]methyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(benzylcarbamoyl)-4-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-(benzylcarbamoyl)-4-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C22H19N3O6S MolecularWeight: 453.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H19N3O6S/c1-13-17(22(28)31-2)21(24-19(26)15-8-10-16(11-9-15)25(29)30)32-18(13)20(27)23-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,23,27)(H,24,26)